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Isepamicin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Identification

Generic Name
Isepamicin
DrugBank Accession Number
DB13540
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 569.6031
Monoisotopic: 569.290821865
Chemical Formula
C22H43N5O12
Synonyms
  • HAPA-B
  • HAPA-gentamycin B
  • Isepamicin
  • Isepamicina
  • Isepamicinum
External IDs
  • Sch 21420
  • SCH-21420
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
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interactions in your software
AbacavirAbacavir may decrease the excretion rate of Isepamicin which could result in a higher serum level.
AceclofenacAceclofenac may decrease the excretion rate of Isepamicin which could result in a higher serum level.
AcemetacinAcemetacin may decrease the excretion rate of Isepamicin which could result in a higher serum level.
AcenocoumarolThe risk or severity of bleeding can be increased when Isepamicin is combined with Acenocoumarol.
AcetaminophenAcetaminophen may decrease the excretion rate of Isepamicin which could result in a higher serum level.
Food Interactions
Not Available

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Categories

ATC Codes
J01GB11 — Isepamicin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 2-deoxystreptamine aminoglycosides. These are aminoglycosides containing the 2-deoxystreptamine (1,3-diaminocyclohexane-4,5,6-triol) core.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
2-deoxystreptamine aminoglycosides
Alternative Parents
O-glycosyl compounds / Beta amino acids and derivatives / Aminocyclitols and derivatives / Cyclohexylamines / Cyclohexanols / Oxanes / Monosaccharides / Tertiary alcohols / Secondary carboxylic acid amides / 1,2-aminoalcohols
show 9 more
Substituents
1,2-aminoalcohol / 2-deoxystreptamine aminoglycoside / Acetal / Alcohol / Aliphatic heteromonocyclic compound / Amine / Amino acid or derivatives / Aminocyclitol or derivatives / Beta amino acid or derivatives / Carbonyl group
show 25 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
G7K224460P
CAS number
58152-03-7
InChI Key
UDIIBEDMEYAVNG-ZKFPOVNWSA-N
InChI
InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1
IUPAC Name
(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-{[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamide
SMILES
[H][C@]1(O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)NC(=O)[C@@H](O)CN)OC[C@](C)(O)[C@H](NC)[C@H]1O

References

General References
Not Available
Human Metabolome Database
HMDB0041911
ChemSpider
2301019
ChEMBL
CHEMBL272080
ZINC
ZINC000008214585
Wikipedia
Isepamicin

Clinical Trials

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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, solution
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility63.0 mg/mLALOGPS
logP-2.8ALOGPS
logP-7.3Chemaxon
logS-0.96ALOGPS
pKa (Strongest Acidic)12.07Chemaxon
pKa (Strongest Basic)9.54Chemaxon
Physiological Charge4Chemaxon
Hydrogen Acceptor Count16Chemaxon
Hydrogen Donor Count12Chemaxon
Polar Surface Area297.72 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity128.43 m3·mol-1Chemaxon
Polarizability56.68 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-9301130000-41beaf166f8832a99503
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0001390000-01e1fc1bcf53e0333e04
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0100190000-afd19a02318af475a0c6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6x-0059120000-c90d7e814668c35ba5ad
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ps-1301960000-424a98761c993a73b53c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-059t-5403940000-baabbd1a31aad9909fca
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ls-2095320000-4c64a71f0de0b31f1304
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-230.1157386
predicted
DarkChem Lite v0.1.0
[M-H]-227.89201
predicted
DeepCCS 1.0 (2019)
[M+H]+228.6927386
predicted
DarkChem Lite v0.1.0
[M+H]+229.61574
predicted
DeepCCS 1.0 (2019)
[M+Na]+228.0671386
predicted
DarkChem Lite v0.1.0
[M+Na]+235.94469
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at February 21, 2021 18:54